3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one

C27H33N5O2 — CID 155123900

IUPAC3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
SMILESCc1nc2cc(-c3[nH]c4ccc(C5CCN(C(=O)CC(C)O)CC5)cc4c3C(C)C)ccn2n1
InChIInChI=1S/C27H33N5O2/c1-16(2)26-22-14-20(19-7-10-31(11-8-19)25(34)13-17(3)33)5-6-23(22)29-27(26)21-9-12-32-24(15-21)28-18(4)30-32/h5-6,9,12,14-17,19,29,33H,7-8,10-11,13H2,1-4H3
InChIKeyIQRLQTIRNVXDJY-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.79
Rot. Bonds5

About 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one

3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one (PubChem CID 155123900) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
PubChem CID155123900
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
SMILESCc1nc2cc(-c3[nH]c4ccc(C5CCN(C(=O)CC(C)O)CC5)cc4c3C(C)C)ccn2n1
InChIInChI=1S/C27H33N5O2/c1-16(2)26-22-14-20(19-7-10-31(11-8-19)25(34)13-17(3)33)5-6-23(22)29-27(26)21-9-12-32-24(15-21)28-18(4)30-32/h5-6,9,12,14-17,19,29,33H,7-8,10-11,13H2,1-4H3
InChIKeyIQRLQTIRNVXDJY-UHFFFAOYSA-N
XLogP4.79
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one
CID 155123901
1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
CID 142594298
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087
2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
CID 166655588
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(1-methylcyclopropyl)methylamino]ethanone
CID 134329917
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134329526
3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 134329418
1-[4-[3-(2,2-difluoroethyl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 148632611
2-(dimethylamino)-1-[4-[2-(7-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594466

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one (CID 155123900) is 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one is Cc1nc2cc(-c3[nH]c4ccc(C5CCN(C(=O)CC(C)O)CC5)cc4c3C(C)C)ccn2n1.
What is the InChIKey of 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one?
The InChIKey is IQRLQTIRNVXDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-16(2)26-22-14-20(19-7-10-31(11-8-19)25(34)13-17(3)33)5-6-23(22)29-27(26)21-9-12-32-24(15-21)28-18(4)30-32/h5-6,9,12,14-17,19,29,33H,7-8,10-11,13H2,1-4H3.
What are the key properties of 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one?
3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one has a molecular weight of 459.59 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 155123900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).